ethyl {2-nitro-4-[(2-phenylethyl)carbamoyl]benzene-1-sulfonyl}acetate
Chemical Structure Depiction of
ethyl {2-nitro-4-[(2-phenylethyl)carbamoyl]benzene-1-sulfonyl}acetate
ethyl {2-nitro-4-[(2-phenylethyl)carbamoyl]benzene-1-sulfonyl}acetate
Compound characteristics
| Compound ID: | K781-8628 |
| Compound Name: | ethyl {2-nitro-4-[(2-phenylethyl)carbamoyl]benzene-1-sulfonyl}acetate |
| Molecular Weight: | 420.44 |
| Molecular Formula: | C19 H20 N2 O7 S |
| Smiles: | CCOC(CS(c1ccc(cc1[N+]([O-])=O)C(NCCc1ccccc1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3491 |
| logD: | 2.3491 |
| logSw: | -2.8747 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.769 |
| InChI Key: | PKTZJTDHXLOHEL-UHFFFAOYSA-N |